HRID2124634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID2736346

6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline

C11H6BrClF3N

HCID66700972

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)NC(=O)c1ccc2ccccc2c1OCc1ccc2nc(C(F)(F)F)cc(Cl)c2c1

HCID66701239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77f9f905c203425aa0c34339c9ac39bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:22][CH2:23][c:24]1[cH:25][c:26]2[c:27]([Cl:38])[cH:28][c:29]([C:34]([F:35])([F:36])[F:37])[n:30][c:31]2[cH:32][cH:33]1.[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[NH:7][C:8](=[O:9])[c:10]1[c:11]([OH:20])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[cH:18][cH:19]1)=[O:21].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:50]>>[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[NH:7][C:8](=[O:9])[c:10]1[c:11]([O:20][CH2:23][c:24]2[cH:25][c:26]3[c:27]([Cl:38])[cH:28][c:29]([C:34]([F:35])([F:36])[F:37])[n:30][c:31]3[cH:32][cH:33]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[cH:18][cH:19]1)=[O:21]